| CAS Number | 82117-20-2 |
| Catalog Number | AG004W6X(AGN-PC-0ULIE9) |
| Chemical Name | Isoquinoline,3-chloro-6-methoxy- |
| IUPAC Name | 3-chloro-6-methoxyisoquinoline |
| InChI | InChI=1S/C10H8ClNO/c1-13-9-3-2-7-6-12-10(11)5-8(7)4-9/h2-6H,1H3 |
| InChI Key | JVYQLLUOCTXIIY-UHFFFAOYSA-N |
| MDL Number | MFCD11044725 |
| Molecular Formula | C10H8ClNO |
| Molecular Weight | 193.6296 |
| SMILES | COc1ccc2c(c1)cc(nc2)Cl |
| Synonyms | 3-Chloro-6-methoxyisoquinoline,
82117-20-2,
Isoquinoline,3-chloro-6-methoxy-,
SCHEMBL18769997,
CTK5E9416,
DTXSID50696033,
Isoquinoline, 3-chloro-6-methoxy-,
2242AJ,
MFCD11044725,
ZINC95628495,
AKOS006309172,
3-CHLORO-6-METHOXY-ISOQUINOLINE,
C10H8ClNO,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.63g/mol |
| Monoisotopic Mass | 193.029g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number